Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

feature/SOF-7527 Passivation Si(100) tutorial #311

Merged
merged 6 commits into from
Jan 2, 2025
Merged

Conversation

VsevolodX
Copy link
Member

  • feat: si (100) passivation tutorial (claude)
  • update: human touch
  • update: add images
  • update: use images
  • update: mkdocs

Copy link

netlify bot commented Dec 31, 2024

Deploy Preview for mat3ra-documentation ready!

Name Link
🔨 Latest commit 7f25d6c
🔍 Latest deploy log https://app.netlify.com/sites/mat3ra-documentation/deploys/6775e35309e7bc0008215be9
😎 Deploy Preview https://deploy-preview-311--mat3ra-documentation.netlify.app
📱 Preview on mobile
Toggle QR Code...

QR Code

Use your smartphone camera to open QR code link.

To edit notification comments on pull requests, go to your Netlify site configuration.


![Si(100) H-Passivated Surface](/images/tutorials/materials/passivation/passivation_surface_silicon/0-figure-from-manuscript.webp "H-Passivated Silicon (100)")

## 1. Adjust Silicon Surface Structure
Copy link
Member

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

Obtain the Silicon 100 Surface Structure.

second_si_atom_coordinate = si_atoms_sorted[second_from_top_index]

print(f"Coordinates of the second Si atom: {second_si_atom_coordinate}")
adjusted_coordinate = [coord + delta for coord, delta in zip(second_si_atom_coordinate, [0.025, 0, 0.025])]
Copy link
Member

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

Let's reformat this code to make it less wide - otherwise, it's hard to see it online


![Final Structure](/images/tutorials/materials/passivation/passivation_surface_silicon/6-wave-result.webp "Final H-Passivated Si(100)")

## 4. Save Passivated Structure
Copy link
Member

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

This should be a generic item - similar to other notebooks - "Save the Results" or something like that, without mentioning the passivated structure

@VsevolodX VsevolodX merged commit 1fa8e5a into master Jan 2, 2025
11 checks passed
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

Successfully merging this pull request may close these issues.

2 participants